Ketoconazole-d3

Ketoconazole-d3 is intended for use as an internal standard for the quantification of ketoconazole (Cay-15212) by GC- or LC-MS. Ketoconazole is a broad-spectrum triazole antifungal agent that has activity against C. albicans, C. krusei, C. tropicalis, C. glabrata, C. parapsilosis, C. neoformans, and A. fumigatus strains (IC50s = 0.031-8 µg/ml). It inhibits the fungal cytochrome P450 (CYP) isoform CYP51, also known as lanosterol 14alpha-demethylase, which arrests ergosterol (Cay-19850) biosynthesis at the fungal membrane. Ketoconazole also inhibits human CYP3A4 (IC50 = 0.54 µM). Formulations containing ketoconazole have been used in the treatment of fungal infections.Formal Name: 1-(4-(4-(((2R,4S)-2-((1H-imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)ethan-1-one-2,2,2-d3. CAS Number: 1217766-70-5. Molecular Formula: C26H25Cl2D3N4O4. Formula Weight: 534.5. Purity: >99% deuterated forms (d1-d3). Formulation: (Request formulation change), A solid. Solubility: Chloroform: slightly soluble, Methanol: slightly soluble. SMILES: O=C(C([2H])([2H])[2H])N1CCN(C2=CC=C(OC[C@@H]3O[C@](C4=CC=C(Cl)C=C4Cl)(CN5C=CN=C5)OC3)C=C2)CC1. InChi Code: InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1/i1D3. InChi Key: XMAYWYJOQHXEEK-SIULDFEJSA-N.